2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol

C15H12ClF3O2 — CID 103053453

IUPAC2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF3O2/c16-11-4-5-13(17)10(6-11)8-14(20)9-2-1-3-12(7-9)21-15(18)19/h1-7,14-15,20H,8H2
InChIKeyHKZVWRPSDIIJBQ-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.36
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol

2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol (PubChem CID 103053453) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
PubChem CID103053453
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF3O2/c16-11-4-5-13(17)10(6-11)8-14(20)9-2-1-3-12(7-9)21-15(18)19/h1-7,14-15,20H,8H2
InChIKeyHKZVWRPSDIIJBQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
4-chloro-2-[[2-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136826931
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol (CID 103053453) is 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol is OC(Cc1cc(Cl)ccc1F)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
The InChIKey is HKZVWRPSDIIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c16-11-4-5-13(17)10(6-11)8-14(20)9-2-1-3-12(7-9)21-15(18)19/h1-7,14-15,20H,8H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol?
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol has a molecular weight of 316.71 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 103053453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).